CID 59248176

Azidoacetic acid nhs ester

Structural Information

Molecular Formula
C6H6N4O4
SMILES
C1CC(=O)N(C1=O)OC(=O)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O4/c7-9-8-3-6(13)14-10-4(11)1-2-5(10)12/h1-3H2
InChIKey
FENNDBOWHRZLTQ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-azidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

198.03891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04619 139.0
[M+Na]+ 221.02813 147.4
[M+NH4]+ 216.07273 144.6
[M+K]+ 237.00207 147.7
[M-H]- 197.03163 140.2
[M+Na-2H]- 219.01358 141.9
[M]+ 198.03836 139.7
[M]- 198.03946 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe